3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid

C10H15NO5S2 — CID 82706091

IUPAC3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NOCC(C)C)sc1C(=O)O
InChIInChI=1S/C10H15NO5S2/c1-6(2)5-16-11-18(14,15)8-4-7(3)9(17-8)10(12)13/h4,6,11H,5H2,1-3H3,(H,12,13)
InChIKeyASGWJIBVKQKAMM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.62
Rot. Bonds6

About 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid (PubChem CID 82706091) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
PubChem CID82706091
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NOCC(C)C)sc1C(=O)O
InChIInChI=1S/C10H15NO5S2/c1-6(2)5-16-11-18(14,15)8-4-7(3)9(17-8)10(12)13/h4,6,11H,5H2,1-3H3,(H,12,13)
InChIKeyASGWJIBVKQKAMM-UHFFFAOYSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-(2,2,2-trifluoroethoxysulfamoyl)thiophene-2-carboxylic acid
CID 82707235
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
2,4-dimethyl-5-(2-methylpropoxysulfamoyl)benzoic acid
CID 82706185
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43706036
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid (CID 82706091) is 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NOCC(C)C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is ASGWJIBVKQKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-6(2)5-16-11-18(14,15)8-4-7(3)9(17-8)10(12)13/h4,6,11H,5H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 82706091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).